SCHEMBL30068847

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.50

▸	MAPK8	P45983	1/20	0.47

▸	MAPK9	P45984	1/20	0.47

▸	MAPK10	P53779	1/20	0.47

▸	MAOB	P27338	1/20	0.46

▸	KDM5A	P29375	1/20	0.46

▸	KDM1B	Q8NB78	1/20	0.46

▸	CALCRL	Q16602	1/20	0.43

▸	VIPR2	P41587	6/20	0.42

▸	VIPR1	P32241	6/20	0.42

▸	KEAP1	Q14145	1/20	0.42

▸	TFPI	P10646	1/20	0.41

▸	REN	P00797	3/20	0.41

▸	NPY1R	P25929	2/20	0.41

▸	NPY2R	P49146	2/20	0.41

▸	NPY4R	P50391	2/20	0.41

▸	NPY5R	Q15761	2/20	0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL29395836	0.91	KDM1A (0.54)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844409	0.91	KDM1A (0.47)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29568737	0.90	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311449	0.89	BACE1 (0.47)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29570023	0.89	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30771330	0.88	KDM1A (0.43)	KDM1AMAOBKDM5AKDM1BCALCRL
SCHEMBL30844263	0.88	KDM1A (0.45)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29462920	0.87	GHSR (0.41)	KDM1AREN
SCHEMBL30844301	0.87	KDM1A (0.48)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844370	0.87	KDM1A (0.48)	KDM1AMAPK8MAPK9MAPK10MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2022261030-A1	OLIGONUCLEOTIDE ANALOGUE MODULATORS OF ONCOGENES	NEUBASE THERAPEUTICS, INC. (US)	2022-12-15	—	—	WO	disclosed